4-heptoxy-N-[(4-iodophenyl)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(4-iodophenyl)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[(4-iodophenyl)carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[(4-iodoanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(4-iodophenyl)carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(4-iodophenyl)thiocarbamoyl]benzamide Formula: C21H25IN2O2S MolecularWeight: 496.40487

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)I

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)I

InChI

InChI=1S/C21H25IN2O2S/c1-2-3-4-5-6-15-26-19-13-7-16(8-14-19)20(25)24-21(27)23-18-11-9-17(22)10-12-18/h7-14H,2-6,15H2,1H3,(H2,23,24,25,27)